Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM191799'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A1 (Homo sapiens (Human))	BDBM191799 (US9187428, 27) Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(OC)c3)c2C#N)ccn1 Show InChI InChI=1S/C22H17FN6O2S/c1-27-21(30)17-7-12(5-6-28-17)11-32-22-15(10-25)19(14(9-24)20(26)29-22)13-3-4-16(23)18(8-13)31-2/h3-8H,11H2,1-2H3,(H2,26,29)(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	0.300	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...				US Patent US9187428 (2015) BindingDB Entry DOI: 10.7270/Q29Z93Q4
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